![acetyl(methyl)[?]one structure](/static/products/1262/126234-03-5.webp)
acetyl(methyl)[?]one
TL;DR: acetyl(methyl)[?]one (CAS 126234-03-5) is a chemical compound with molecular formula C13H15N3O2 and molecular weight 245.11642 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
10-acetyl-11-methyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Also Known As: acetyl(methyl)[?]one, 6-Acetyl-4,5,6,7-tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one, Imidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one, 6-acetyl-4,5,6,7-tetrahydro-5-methyl-, Imidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one,6-acetyl-4,5,6,7-tetrahydro-5-methyl-, 10-acetyl-11-methyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Technical Specifications
| Molecular Formula | C13H15N3O2 |
| Molecular Weight | 245.11642 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 245.11642 Da |
| Heavy Atoms | 18 |
| Complexity | 384.0 |
| SMILES | CC1CN2C3=C(CN1C(=O)C)C=CC=C3NC2=O |
| InChIKey | IVWLQKHLPSTERO-UHFFFAOYSA-N |
Chemical Property Profile of acetyl(methyl)[?]one
Property Insights of acetyl(methyl)[?]one
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for acetyl(methyl)[?]one. With a topological polar surface area (TPSA) of 52.7 Ų, acetyl(methyl)[?]one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, acetyl(methyl)[?]one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of acetyl(methyl)[?]one?
The CAS number of acetyl(methyl)[?]one is 126234-03-5.
What is the molecular formula of acetyl(methyl)[?]one?
The molecular formula of acetyl(methyl)[?]one is C13H15N3O2.
What is the molecular weight of acetyl(methyl)[?]one?
The molecular weight of acetyl(methyl)[?]one is 245.11642 g/mol.
Where can I buy acetyl(methyl)[?]one?
You can request a quote for acetyl(methyl)[?]one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for acetyl(methyl)[?]one?
Yes, CoreyChem provides custom synthesis services for acetyl(methyl)[?]one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.